methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate

C21H25NO2 — CID 134848197

IUPACmethyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate
SMILESCC[C@H](/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C21H25NO2/c1-3-19(15-14-17-10-6-4-7-11-17)22-20(21(23)24-2)16-18-12-8-5-9-13-18/h4-15,19-20,22H,3,16H2,1-2H3/b15-14+/t19-,20+/m1/s1
InChIKeyYMTDOZBROQVEEE-PVGHIGJASA-N
MW323.44 g/mol
LogP3.85
Rot. Bonds8

About methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate

methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate (PubChem CID 134848197) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate
PubChem CID134848197
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Namemethyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate
SMILESCC[C@H](/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C21H25NO2/c1-3-19(15-14-17-10-6-4-7-11-17)22-20(21(23)24-2)16-18-12-8-5-9-13-18/h4-15,19-20,22H,3,16H2,1-2H3/b15-14+/t19-,20+/m1/s1
InChIKeyYMTDOZBROQVEEE-PVGHIGJASA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate with MolForge

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Related Compounds

methyl (Z)-2-benzyl-4-phenylbut-3-enoate
CID 102009191
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
methyl 2-formamido-3-phenylpropanoate
CID 595529
methyl (2S)-2-[[(E,2S,3S)-3-methyl-2-(4-methylphenyl)-5-phenylpent-4-enyl]amino]-3-phenylpropanoate
CID 175776217
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
ethyl (E,2R,3S)-2-benzyl-3-methyl-5-phenylpent-4-enoate
CID 134973992
(3S)-3-amino-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 15764285
methyl 2-(2-phenylethenyl)pentanoate
CID 174248915
methyl 2-methyl-3-phenylpropanoate
CID 11105919
2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
CID 70091345
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate (CID 134848197) is methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate is CC[C@H](/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate?
The InChIKey is YMTDOZBROQVEEE-PVGHIGJASA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-19(15-14-17-10-6-4-7-11-17)22-20(21(23)24-2)16-18-12-8-5-9-13-18/h4-15,19-20,22H,3,16H2,1-2H3/b15-14+/t19-,20+/m1/s1.
What are the key properties of methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate?
methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate has a molecular weight of 323.44 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate is sourced from PubChem (CID 134848197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).